(3-chloranyl-1-benzothiophen-2-yl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylisonipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C23H22ClNO5S2 MolecularWeight: 492.00748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H22ClNO5S2/c1-15(26)16-6-8-18(9-7-16)32(28,29)25-12-10-17(11-13-25)23(27)30-14-21-22(24)19-4-2-3-5-20(19)31-21/h2-9,17H,10-14H2,1H3